[3-(cyclopropylamino)pyrrolidin-1-yl]-[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]methanone

C23H23FN4O — CID 174969699

IUPAC[3-(cyclopropylamino)pyrrolidin-1-yl]-[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cc(Cc2nncc3ccccc23)ccc1F)N1CCC(NC2CC2)C1
InChIInChI=1S/C23H23FN4O/c24-21-8-5-15(12-22-19-4-2-1-3-16(19)13-25-27-22)11-20(21)23(29)28-10-9-18(14-28)26-17-6-7-17/h1-5,8,11,13,17-18,26H,6-7,9-10,12,14H2
InChIKeyOFAHPGZKBNVQMO-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.33
Rot. Bonds5

About [3-(cyclopropylamino)pyrrolidin-1-yl]-[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]methanone

[3-(cyclopropylamino)pyrrolidin-1-yl]-[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]methanone (PubChem CID 174969699) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is [3-(cyclopropylamino)pyrrolidin-1-yl]-[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(cyclopropylamino)pyrrolidin-1-yl]-[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]methanone
PubChem CID174969699
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name[3-(cyclopropylamino)pyrrolidin-1-yl]-[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cc(Cc2nncc3ccccc23)ccc1F)N1CCC(NC2CC2)C1
InChIInChI=1S/C23H23FN4O/c24-21-8-5-15(12-22-19-4-2-1-3-16(19)13-25-27-22)11-20(21)23(29)28-10-9-18(14-28)26-17-6-7-17/h1-5,8,11,13,17-18,26H,6-7,9-10,12,14H2
InChIKeyOFAHPGZKBNVQMO-UHFFFAOYSA-N
XLogP3.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(cyclopropylamino)pyrrolidin-1-yl]-[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
CID 174800688
[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-(1-hydroxypropan-2-ylamino)azetidin-1-yl]methanone
CID 175835453
[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-(pyridin-4-ylmethylamino)azetidin-1-yl]methanone
CID 174969691
[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[(3S)-3-[methyl(pyridin-2-ylmethyl)amino]pyrrolidin-1-yl]methanone
CID 175329938
[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-[[1-(trifluoromethyl)cyclobutyl]amino]azetidin-1-yl]methanone
CID 163575590
[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]-[3-[methyl(pyridin-2-ylmethyl)amino]azetidin-1-yl]methanone
CID 163894657
4-[[3-[2-(2-aminoethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-5-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
CID 56833021
(5-chloro-2-fluorophenyl)-(4-phthalazin-1-ylpiperazin-1-yl)methanone
CID 78899109
4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
CID 23725625
4-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one
CID 76683769
[4-(1H-imidazo[4,5-b]pyridin-5-yl)piperazin-1-yl]-[5-(phthalazin-1-ylmethyl)-2-(trifluoromethyl)phenyl]methanone
CID 154005567
4-[[4-fluoro-3-[4-(3-methoxypropyl)piperidine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 70255977

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylamino)pyrrolidin-1-yl]-[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]methanone?
The IUPAC name of [3-(cyclopropylamino)pyrrolidin-1-yl]-[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]methanone (CID 174969699) is [3-(cyclopropylamino)pyrrolidin-1-yl]-[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [3-(cyclopropylamino)pyrrolidin-1-yl]-[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [3-(cyclopropylamino)pyrrolidin-1-yl]-[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]methanone is O=C(c1cc(Cc2nncc3ccccc23)ccc1F)N1CCC(NC2CC2)C1.
What is the InChIKey of [3-(cyclopropylamino)pyrrolidin-1-yl]-[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]methanone?
The InChIKey is OFAHPGZKBNVQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c24-21-8-5-15(12-22-19-4-2-1-3-16(19)13-25-27-22)11-20(21)23(29)28-10-9-18(14-28)26-17-6-7-17/h1-5,8,11,13,17-18,26H,6-7,9-10,12,14H2.
What are the key properties of [3-(cyclopropylamino)pyrrolidin-1-yl]-[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]methanone?
[3-(cyclopropylamino)pyrrolidin-1-yl]-[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]methanone has a molecular weight of 390.46 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylamino)pyrrolidin-1-yl]-[2-fluoro-5-(phthalazin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 174969699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).